4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide

C12H16N4O2S — CID 65231853

IUPAC4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C12H16N4O2S/c13-7-10-1-3-12(4-2-10)19(17,18)16-6-5-11-8-14-9-15-11/h1-4,8-9,16H,5-7,13H2,(H,14,15)
InChIKeyFGGNLQMFZBPXJK-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.39
Rot. Bonds6

About 4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide

4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 65231853) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
PubChem CID65231853
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C12H16N4O2S/c13-7-10-1-3-12(4-2-10)19(17,18)16-6-5-11-8-14-9-15-11/h1-4,8-9,16H,5-7,13H2,(H,14,15)
InChIKeyFGGNLQMFZBPXJK-UHFFFAOYSA-N
XLogP0.39
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]benzamide
CID 65231463
3-N-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-disulfonamide
CID 65231464
3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231599
N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 65231374
N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide
CID 65231514
5-(aminomethyl)-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylbenzenesulfonamide
CID 106066514
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide
CID 65230879
2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65230688
5-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-2-methoxybenzamide
CID 146024582
4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-3-nitrobenzenesulfonamide
CID 40559388
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65231835
2-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylaminomethyl)benzenesulfonamide
CID 106066538

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide (CID 65231853) is 4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide is NCc1ccc(S(=O)(=O)NCCc2cnc[nH]2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is FGGNLQMFZBPXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c13-7-10-1-3-12(4-2-10)19(17,18)16-6-5-11-8-14-9-15-11/h1-4,8-9,16H,5-7,13H2,(H,14,15).
What are the key properties of 4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 65231853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).